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2,4,5-Trihydroxyphenyl-p-chlorobenzylketone

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2,4,5-Trihydroxyphenyl-p-chlorobenzylketone
SpectraBase Compound ID 8Vkgd8YX3Z5
InChI InChI=1S/C14H11ClO4/c15-9-3-1-8(2-4-9)5-11(17)14-12(18)6-10(16)7-13(14)19/h1-4,6-7,16,18-19H,5H2
InChIKey POUZLUJYBWGJJO-UHFFFAOYSA-N
Mol Weight 278.69 g/mol
Molecular Formula C14H11ClO4
Exact Mass 278.034587 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EUJohaK7KV9
Name 2,4,5-Trihydroxyphenyl-p-chlorobenzylketone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 278.034586530 u
Formula C14H11ClO4
InChI InChI=1S/C14H11ClO4/c15-9-3-1-8(2-4-9)5-11(17)14-12(18)6-10(16)7-13(14)19/h1-4,6-7,16,18-19H,5H2
InChIKey POUZLUJYBWGJJO-UHFFFAOYSA-N
SMILES C1(Cl)=CC=C(C=C1)CC(=O)C1=C(O)C=C(O)C=C1O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.920944